COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.393   2.734  -0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       0.085   2.789  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1       0.013   1.398  -0.005  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.545  -1.013   1.249  1.00  0.00           C  
HETATM    5  C   UNL     1       1.200   0.654   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1       2.404   1.337   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       3.507  -0.770   0.004  1.00  0.00           C  
HETATM    8  C   UNL     1       4.900  -1.345   0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       5.556  -1.613  -1.190  1.00  0.00           C  
HETATM   10  N   UNL     1       1.252   3.404   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       3.599   3.430   0.002  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.544  -1.040  -1.246  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.300   0.716  -0.007  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.769  -0.972  -0.001  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.140  -0.237  -0.007  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.648  -0.026  -0.009  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.503  -0.619  -0.004  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.389  -2.048   0.013  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.052  -1.304  -1.207  1.00  0.00           C  
HETATM   20  N   UNL     1       7.426  -2.389  -0.001  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.052  -1.277   1.216  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.878   1.500  -0.006  1.00  0.00           S  
HETATM   23  O   UNL     1       3.582   0.657   0.001  1.00  0.00           O  
HETATM   24  C   UNL     1       6.832  -2.141  -1.152  1.00  0.00           C  
HETATM   25  C   UNL     1       6.835  -2.142   1.152  1.00  0.00           C  
HETATM   26  C   UNL     1       5.558  -1.615   1.193  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.824   3.372  -0.001  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.010  -1.962   1.280  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.297  -0.427   2.134  1.00  0.00           H  
HETATM   30  H   UNL     1       1.176  -0.426   0.004  1.00  0.00           H  
HETATM   31  H   UNL     1       2.973  -1.107  -0.885  1.00  0.00           H  
HETATM   32  H   UNL     1       2.977  -1.104   0.895  1.00  0.00           H  
HETATM   33  H   UNL     1       5.075  -1.413  -2.135  1.00  0.00           H  
HETATM   34  H   UNL     1       3.599   4.400   0.004  1.00  0.00           H  
HETATM   35  H   UNL     1       4.439   2.945   0.001  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.297  -0.474  -2.144  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.009  -1.990  -1.255  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.644   0.729  -0.017  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.694  -1.335  -0.004  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.935  -2.950   0.023  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.586  -0.354  -1.212  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.341  -1.888  -2.081  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.342  -1.841   2.102  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.587  -0.327   1.199  1.00  0.00           H  
HETATM   45  H   UNL     1       7.350  -2.353  -2.076  1.00  0.00           H  
HETATM   46  H   UNL     1       7.352  -2.359   2.075  1.00  0.00           H  
HETATM   47  H   UNL     1       5.079  -1.414   2.140  1.00  0.00           H  
CONECT    1    6    6   10   11                                       
CONECT    2    3   10   10   27                                       
CONECT    3   13    5    5    2                                       
CONECT    4   21   15   28   29                                       
CONECT    5    3    3    6   30                                       
CONECT    6    5   23    1    1                                       
CONECT    7    8   23   31   32                                       
CONECT    8    9    7   26   26                                       
CONECT    9   24   24    8   33                                       
CONECT   10    2    2    1                                            
CONECT   11    1   34   35                                            
CONECT   12   15   19   36   37                                       
CONECT   13   17   17   22    3                                       
CONECT   14   17   16   16                                            
CONECT   15    4   16   12   38                                       
CONECT   16   14   14   15   22                                       
CONECT   17   14   13   13   39                                       
CONECT   18   21   19   40                                            
CONECT   19   18   12   41   42                                       
CONECT   20   24   25   25                                            
CONECT   21    4   18   43   44                                       
CONECT   22   16   13                                                 
CONECT   23    7    6                                                 
CONECT   24    9    9   20   45                                       
CONECT   25   20   20   26   46                                       
CONECT   26    8    8   25   47                                       
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
